Molecule ID: mol4055

SMILES: Nc1cncnc1

InChI: InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.27 OCHEM 1 » 0
2.51 QSARToolbox 1 » 0
2.51 IUPAC digitized pKa 1 » 0
2.53 IUPAC digitized pKa 1 » 0
2.83 OCHEM 1 » 0
2.83 QSARToolbox 1 » 0
2.83 QSARToolbox 1 » 0
2.83 Datawarrior 1 » 0
2.83 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization